N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide

C23H26N4O3 — CID 29304202

IUPACN-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCCCn1c(=O)n(CC(=O)NCc2cccc(NC(=O)C3CC3)c2)c2ccccc21
InChIInChI=1S/C23H26N4O3/c1-2-12-26-19-8-3-4-9-20(19)27(23(26)30)15-21(28)24-14-16-6-5-7-18(13-16)25-22(29)17-10-11-17/h3-9,13,17H,2,10-12,14-15H2,1H3,(H,24,28)(H,25,29)
InChIKeyLTCWIZDTFXIIFG-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.88
Rot. Bonds8

About N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 29304202) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID29304202
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCCCn1c(=O)n(CC(=O)NCc2cccc(NC(=O)C3CC3)c2)c2ccccc21
InChIInChI=1S/C23H26N4O3/c1-2-12-26-19-8-3-4-9-20(19)27(23(26)30)15-21(28)24-14-16-6-5-7-18(13-16)25-22(29)17-10-11-17/h3-9,13,17H,2,10-12,14-15H2,1H3,(H,24,28)(H,25,29)
InChIKeyLTCWIZDTFXIIFG-UHFFFAOYSA-N
XLogP2.88
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide (CID 29304202) is N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide is CCCn1c(=O)n(CC(=O)NCc2cccc(NC(=O)C3CC3)c2)c2ccccc21.
What is the InChIKey of N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is LTCWIZDTFXIIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-2-12-26-19-8-3-4-9-20(19)27(23(26)30)15-21(28)24-14-16-6-5-7-18(13-16)25-22(29)17-10-11-17/h3-9,13,17H,2,10-12,14-15H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 29304202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).